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(E)-2-[2-(4-氯-亚苄基)肼基-1-基]-4-{[3-(二甲基-氮鎓-基)丙基]氨基}-喹唑啉-1-鎓 双(高氯酸盐)

(E)-2-[2-(4-Chloro-benzyl-idene)hydrazin-1-yl]-4-{[3-(dimethyl-aza-nium-yl)prop-yl]amino}-quinazolin-1-ium bis-(perchlorate).

作者信息

Jiang Nan, Zuo Jian, Wang Haiyan, Han Ming, Zhai Xin

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 May 1;68(Pt 5):o1557-8. doi: 10.1107/S1600536812018272. Epub 2012 Apr 28.

Abstract

In the title compound, C(20)H(25)ClN(6) (2+)·2ClO(4) (-), the organic cation is roughly planar, as shown by the dihedral angle of 3.78 (3)° between the quinazoline and chloro-phenyl rings. The quinazoline ring is itself approximately planar, with an average deviation of 0.018 (4) Å. The organic cation adopts an E configuration with respect to the C= N double bond of the hyrazinyl group. The (dimethyl-aza-nium-yl)propyl-amino side chain is disordered over two sets of sites with occupancies of 0.768 (10) and 0.232 (10). In the crystal, two cations and four anions are linked by strong N-H⋯O hydrogen bonds. Weak C-H⋯O hydrogen bonds exist among these aggregates.

摘要

在标题化合物C(20)H(25)ClN(6)(2+)·2ClO(4)(-)中,有机阳离子大致呈平面状,喹唑啉环与氯苯环之间的二面角为3.78 (3)° 表明了这一点。喹唑啉环本身近似平面,平均偏差为0.018 (4) Å。相对于肼基的C=N双键,有机阳离子呈E构型。(二甲基氮鎓基)丙基氨基侧链在两组位置上无序,占有率分别为0.768 (10) 和0.232 (10)。在晶体中,两个阳离子和四个阴离子通过强N-H⋯O氢键相连。这些聚集体之间存在弱C-H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5956/3344656/0fa7103f85cb/e-68-o1557-fig1.jpg

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